N-(5-chloro-2-methoxyphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0596 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-[2-(furan-2-yl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C22 H19 Cl N2 O4 S |
| Smiles: | COc1ccc(cc1NC(CN1C(CC(c2ccco2)Sc2ccccc12)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2411 |
| logD: | 4.234 |
| logSw: | -4.5151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.339 |
| InChI Key: | MLYLPNDMYUCTQK-HXUWFJFHSA-N |